A tetragonal high-pressure phase of PtAs₂

Structural and electronic properties of medium-sized beryllium doped magnesium BeMgn clusters and their anions

High-pressure monoclinic phase of MoAlB

High pressure phase stability, elastic anisotropy and electronic properties of GePd

B₂S₃ monolayer: a two-dimensional direct-gap semiconductor with tunable band-gap and high carrier mobility

A single palladium atom immerses in magnesium clusters: PdMg_n (n = 2–20) clusters DFT study

Structural, thermal, and electronic properties of two-dimensional gallium oxide(ß-Ga₂O₃) from first-principles design

Linear Group 13 E≡E Triple Bonds in E₂Li₆²⁺

Dense as diamond: Pn-C10, a superhard sp³ carbon allotrope

Novel ReSe semiconductor designed by structure prediction and phase diagram calculation